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The non-relativistic quantum dynamics of nuclei and electrons is solved within the framework of quantum hydrodynamics using the adiabatic representation of the electronic states. An on-the-fly trajectory-based nonadiabatic molecular dynamics algorithm is d ...
The most classic approach to the dynamics of an n-dimensional mechanical system constrained by d independent holonomic constraints is to pick explicitly a new set of (n - d) curvilinear coordinatesparametrizingthe manifold of configurations satisfying the ...
We study the phase behaviour of symmetric binary mixtures of hard core Yukawa (HCY) particles via thermodynamic perturbation theory (TPT). We show that all the topologies of phase diagram reported for the symmetric binary mixtures are correctly reproduced ...
Structural and electronic properties of the lambda-MnO2(001) surface are investigated applying density functional theory approach. The calculations show that all Mn ions at unreconstructed smooth surface preserve the +4 oxidation state observed in the bulk ...
Precipitated oxalates are often nanostructured and can be used as precursors for nanostructured oxides for different applications. The modification of the particle shape and nanostructures of both copper and cobalt oxalates has been demonstrated using poly ...
Using an angle-resolved heterodyne four-wave-mixing technique, we probe the low momentum excitation spectrum of a coherent polariton gas. The experimental results are well captured by the Bogoliubov transformation which describes the transition from single ...
Polycarboxylate molecules and oligomers have been investigated as growth modifiers during seeded calcite precipitation. To better understand possible molecular interactions and kinetic effects, additives with different structures and molecular weights have ...
We study statistical signatures of composite bosons made of two fermions by extending number states to these quantum particles. Two-particle correlations as well as the dispersion of the probability distribution are analyzed. We show that the particle comp ...
We use the truncated Wigner approximation to derive stochastic classical field equations for the description of polariton condensates. Our equations are shown to reduce to the Boltzmann equation in the limit of low polariton density. Monte Carlo simulation ...
A set of key properties for an ideal dissipation scheme in gyrokinetic simulations is proposed, and implementation of a model collision operator satisfying these properties is described. This operator is based on the exact linearized test-particle collisio ...
